Geometry & MOs

Info

ID:

428853

PubChem CID:

135168301

Reduced:

NH23C37 (2)

Stoich.:

AB23C37 (2)

Weight, g/mol:

1101.408299

ΔHf, kcal/mol:

328.31

Dipole, Da:

1.51

IP(EA), eV:

 -8.03(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC6=C(C=C5)C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations